2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide

C15H21N3O2 — CID 6927912

IUPAC2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1
InChIInChI=1S/C15H21N3O2/c1-10(2)11-3-5-12(6-4-11)18-14(19)9-13-15(20)17-8-7-16-13/h3-6,10,13,16H,7-9H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyRZLSTESCQVOCFX-ZDUSSCGKSA-N
MW275.35 g/mol
LogP1.23
Rot. Bonds4

About 2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 6927912) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID6927912
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1
InChIInChI=1S/C15H21N3O2/c1-10(2)11-3-5-12(6-4-11)18-14(19)9-13-15(20)17-8-7-16-13/h3-6,10,13,16H,7-9H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyRZLSTESCQVOCFX-ZDUSSCGKSA-N
XLogP1.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 7273614
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 944506
N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 2987992
ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate
CID 2956537
N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794746
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 900615
2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 162787464
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 6927912) is 2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1.
What is the InChIKey of 2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is RZLSTESCQVOCFX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)11-3-5-12(6-4-11)18-14(19)9-13-15(20)17-8-7-16-13/h3-6,10,13,16H,7-9H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of 2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 6927912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).